The Moment Analysis Method as Applied to the 2S-2P Transition in Cryogenic Alkali Metal/Rare Gas Matrices (PREPRINT)

Abstract

The moment analysis method (MA) has been tested for the case of 2 S→2P ([core]ns1→[core]np1) transitions of alkali metal atoms (M) doped into cryogenic rare gas (Rg) matrices using theoretically validated simulations. Theoretical/computational M/Rg system models are constructed with precisely defined parameters that closely mimic known M/Rg systems. Monte Carlo (MC) techniques are then employed to generate simulated absorption and magnetic circular dichroism (MCD) spectra of the 2 S→2P M/Rg transition to which the MA method can be applied with the goal of seeing how effective the MA method is in re-extracting the M/Rg system parameters from these known simulated systems. The MA method is summarized in general, and an assessment is made of the use of MA method in the rigid shift approximation typically used to evaluate M/Rg systems. The MC-MCD simulation technique is summarized and validating evidence is presented. The simulation results and the assumptions used in applying MA to M/Rg systems are evaluated. The simulation results on Na/Ar demonstrate that the MA method does successfully re-extract the 2P spin-orbit coupling constant and Land? g-factor values initially used to build the simulations. However, assigning physical significance to the cubic and non-cubic Jahn-Teller (JT) vibrational mode parameters in cryogenic M/Rg systems is not supported.

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Document Details

Document Type
Technical Report
Publication Date
Dec 05, 2005
Accession Number
ADA449997

Entities

People

  • Heidi A. Terrill Vosbein
  • Jerry A. Boatz
  • John W. Kenney

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Absorption
  • Absorption Spectra
  • Air Force Research Laboratories
  • Alkali Metals
  • Color Centers
  • Couplings
  • Crystal Lattices
  • Equations
  • Magnetic Fields
  • Metals
  • Method Of Moments
  • Military Research
  • Physical Chemistry
  • Quantum Properties
  • Shape
  • Simulations
  • Spectra

Readers

  • Computational Modeling and Simulation
  • Materials Science.
  • Quantum Chemistry

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  • Space
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